N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine

C13H25N5 — CID 80926441

IUPACN-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCCCCC(C)(C)CNc1cc(NN)ncn1
InChIInChI=1S/C13H25N5/c1-4-5-6-7-13(2,3)9-15-11-8-12(18-14)17-10-16-11/h8,10H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyYVWCLGZVDOZPPJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.78
Rot. Bonds8

About N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine

N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80926441) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80926441
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCCCCC(C)(C)CNc1cc(NN)ncn1
InChIInChI=1S/C13H25N5/c1-4-5-6-7-13(2,3)9-15-11-8-12(18-14)17-10-16-11/h8,10H,4-7,9,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyYVWCLGZVDOZPPJ-UHFFFAOYSA-N
XLogP2.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
N-(5-chloro-2,2-dimethylpentyl)-6-ethoxypyrimidin-4-amine
CID 106142050
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
CID 106549868
5-chloro-2-(2,2-dimethylheptylamino)pyridine-4-carboxylic acid
CID 114919822
(6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766206
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106144540
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
CID 80786245

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine (CID 80926441) is N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine is CCCCCC(C)(C)CNc1cc(NN)ncn1.
What is the InChIKey of N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is YVWCLGZVDOZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-5-6-7-13(2,3)9-15-11-8-12(18-14)17-10-16-11/h8,10H,4-7,9,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine?
N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).